N-[(1-methylpyrazol-4-yl)methyl]adamantan-1-amine

C15H23N3 — CID 28600253

IUPACN-[(1-methylpyrazol-4-yl)methyl]adamantan-1-amine
SMILESCn1cc(CNC23CC4CC(CC(C4)C2)C3)cn1
InChIInChI=1S/C15H23N3/c1-18-10-14(9-17-18)8-16-15-5-11-2-12(6-15)4-13(3-11)7-15/h9-13,16H,2-8H2,1H3
InChIKeyCGMPDOKQISIQGF-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.48
Rot. Bonds3

About N-[(1-methylpyrazol-4-yl)methyl]adamantan-1-amine

N-[(1-methylpyrazol-4-yl)methyl]adamantan-1-amine (PubChem CID 28600253) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)methyl]adamantan-1-amine.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)methyl]adamantan-1-amine
PubChem CID28600253
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC NameN-[(1-methylpyrazol-4-yl)methyl]adamantan-1-amine
SMILESCn1cc(CNC23CC4CC(CC(C4)C2)C3)cn1
InChIInChI=1S/C15H23N3/c1-18-10-14(9-17-18)8-16-15-5-11-2-12(6-15)4-13(3-11)7-15/h9-13,16H,2-8H2,1H3
InChIKeyCGMPDOKQISIQGF-UHFFFAOYSA-N
XLogP2.48
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]adamantan-1-amine?
The IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]adamantan-1-amine (CID 28600253) is N-[(1-methylpyrazol-4-yl)methyl]adamantan-1-amine.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)methyl]adamantan-1-amine?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)methyl]adamantan-1-amine is Cn1cc(CNC23CC4CC(CC(C4)C2)C3)cn1.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)methyl]adamantan-1-amine?
The InChIKey is CGMPDOKQISIQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-18-10-14(9-17-18)8-16-15-5-11-2-12(6-15)4-13(3-11)7-15/h9-13,16H,2-8H2,1H3.
What are the key properties of N-[(1-methylpyrazol-4-yl)methyl]adamantan-1-amine?
N-[(1-methylpyrazol-4-yl)methyl]adamantan-1-amine has a molecular weight of 245.37 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)methyl]adamantan-1-amine is sourced from PubChem (CID 28600253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).